4-hydroxy-2-[(Z)-2-(4-methoxyanilino)ethenyl]benzaldehyde

C16H15NO3 — CID 89337274

IUPAC4-hydroxy-2-[(Z)-2-(4-methoxyanilino)ethenyl]benzaldehyde
SMILESCOc1ccc(N/C=C\c2cc(O)ccc2C=O)cc1
InChIInChI=1S/C16H15NO3/c1-20-16-6-3-14(4-7-16)17-9-8-12-10-15(19)5-2-13(12)11-18/h2-11,17,19H,1H3/b9-8-
InChIKeyHSNQSGMOICZXKX-HJWRWDBZSA-N
MW269.30 g/mol
LogP3.30
Rot. Bonds5

About 4-hydroxy-2-[(Z)-2-(4-methoxyanilino)ethenyl]benzaldehyde

4-hydroxy-2-[(Z)-2-(4-methoxyanilino)ethenyl]benzaldehyde (PubChem CID 89337274) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-hydroxy-2-[(Z)-2-(4-methoxyanilino)ethenyl]benzaldehyde.

Molecular Properties

Compound Name4-hydroxy-2-[(Z)-2-(4-methoxyanilino)ethenyl]benzaldehyde
PubChem CID89337274
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name4-hydroxy-2-[(Z)-2-(4-methoxyanilino)ethenyl]benzaldehyde
SMILESCOc1ccc(N/C=C\c2cc(O)ccc2C=O)cc1
InChIInChI=1S/C16H15NO3/c1-20-16-6-3-14(4-7-16)17-9-8-12-10-15(19)5-2-13(12)11-18/h2-11,17,19H,1H3/b9-8-
InChIKeyHSNQSGMOICZXKX-HJWRWDBZSA-N
XLogP3.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-2-[4-[3-(dimethylamino)propoxy]anilino]ethenyl]-4-methoxybenzaldehyde
CID 89337275
ethane;4-hydroxyphthalaldehyde
CID 90973394
3-hydroxy-6-methoxynaphthalene-2-carbaldehyde
CID 130034455
4-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenol
CID 135533459
4-methoxy-2-[4-(methylamino)but-1-enyl]benzaldehyde
CID 170496009
2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde
CID 15189859
4-methoxy-2-(3-sulfanylprop-1-enyl)benzaldehyde
CID 169455417
2-(2-formyl-5-hydroxyphenyl)-4-hydroxy-3-methoxybenzaldehyde
CID 141256156
4-methoxy-2-[(1E)-4-oxobuta-1,3-dienyl]benzaldehyde
CID 172555495
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 767055
(2-formyl-5-methoxyphenyl)-methylborinic acid
CID 58916121

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(Z)-2-(4-methoxyanilino)ethenyl]benzaldehyde?
The IUPAC name of 4-hydroxy-2-[(Z)-2-(4-methoxyanilino)ethenyl]benzaldehyde (CID 89337274) is 4-hydroxy-2-[(Z)-2-(4-methoxyanilino)ethenyl]benzaldehyde.
What is the SMILES notation for 4-hydroxy-2-[(Z)-2-(4-methoxyanilino)ethenyl]benzaldehyde?
The canonical SMILES for 4-hydroxy-2-[(Z)-2-(4-methoxyanilino)ethenyl]benzaldehyde is COc1ccc(N/C=C\c2cc(O)ccc2C=O)cc1.
What is the InChIKey of 4-hydroxy-2-[(Z)-2-(4-methoxyanilino)ethenyl]benzaldehyde?
The InChIKey is HSNQSGMOICZXKX-HJWRWDBZSA-N. The full InChI is InChI=1S/C16H15NO3/c1-20-16-6-3-14(4-7-16)17-9-8-12-10-15(19)5-2-13(12)11-18/h2-11,17,19H,1H3/b9-8-.
What are the key properties of 4-hydroxy-2-[(Z)-2-(4-methoxyanilino)ethenyl]benzaldehyde?
4-hydroxy-2-[(Z)-2-(4-methoxyanilino)ethenyl]benzaldehyde has a molecular weight of 269.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(Z)-2-(4-methoxyanilino)ethenyl]benzaldehyde is sourced from PubChem (CID 89337274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).